6L0B
Crystal structure of dihydroorotase in complex with fluorouracil from Saccharomyces cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-16 |
Detector | RAYONIX MX325HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.474, 88.430, 103.165 |
Unit cell angles | 90.00, 95.41, 90.00 |
Refinement procedure
Resolution | 29.940 - 2.700 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l0a |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.940 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 41606 | 3807 |
<I/σ(I)> | 9.9 | |
Completeness [%] | 98.4 | |
Redundancy | 4.1 | |
CC(1/2) | 0.934 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 10 mM imidazole malate pH 7.0, 19 % PEG 4000 |